2-(cyclopropylmethyl)-7-(2,5-dimethoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-(2,5-dimethoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(2,5-dimethoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-2680 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(2,5-dimethoxybenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C18 H24 N4 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0162 |
| logD: | 2.0113 |
| logSw: | -2.6123 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.732 |
| InChI Key: | ARMGETATTPTBCK-UHFFFAOYSA-N |